4-azanyl-2-[3-(3-bromophenyl)propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[3-(3-bromophenyl)propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[3-(3-bromophenyl)propanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[3-(3-bromophenyl)propanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[3-(3-bromophenyl)propanoylamino]-4-keto-butyric acid Formula: C13H15BrN2O4 MolecularWeight: 343.1732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H15BrN2O4/c14-9-3-1-2-8(6-9)4-5-12(18)16-10(13(19)20)7-11(15)17/h1-3,6,10H,4-5,7H2,(H2,15,17)(H,16,18)(H,19,20)